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Entry Data

Table mix-ins: ['Structure'] Extra columns: ['energy_above_hull']

Base Information:

  • Database Entry ID: jvasp-111638
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 20
  • Number of elements: 5
  • Element list: ['K', 'Na', 'Nb', 'O', 'F']
  • Chemical System: F-K-Na-Nb-O
  • Density: 3.2443790166171897
  • Atomic Density: 0.06467748031410045
  • Unit Cell Volume: 309.22664121842365
  • Molar Volume: 9.311031800796826
  • Full Formula: K4 Na2 Nb2 O4 F8
  • Reduced Formula: K2NaNb(OF2)2
  • Formula Anonymous: ABC2D2E4
  • Spacegroup Number: 136
  • Spacegroup Symbol: P4_2/mnm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm